Caspofungin Acetate

Product Name Caspofungin Acetate
Alternate Names Caspofungin API Standards, API Standards of Caspofungin
CAT No. CS-T-50400
CAS No. 179463-17-3
Category API Standards
Stock IN-Stock
Mol. Wt. 1213.42 g/mol
Mol. For. C₅₆H₉₆N₁₀O₁₉
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Caspofungin
Therapeutic Synthetic Peptides, Specialty drugs
Smileys CC(O)=O.O=C([C@](NC(C(NC([C@@](C[C@@H](O)C1)([H])N1C2=O)=O)[C@H](O)[C@H](C3=CC=C(O)C=C3)O)=O)([H])[C@H](O)CCN)N(CC[C@@H]4O)[C@]4([H])C(N[C@H]([C@@H](C[C@@H](C(NC2[C@H](O)C)=O)NC(CCCCCCCC[C@@H](C)C[C@@H](C)CC)=O)O)NCCN)=O.CC(O)=O
Canonical Smiles CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O
InchIKey OGUJBRYAAJYXQP-LLXMLGLCSA-N
Inchl InChI=1S/C52H88N10O15.2C2H4O2/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72;2*1-2(3)4/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75);2*1H3,(H,3,4)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+;;/m1../s1
IUPAC acetic acid;N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
Controlled No
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